4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione

C21H25NO3 — CID 54708972

IUPAC4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
SMILESCc1cc(C)c(-c2c(O)c3c(n(C)c2=O)CC(C)(C)CC3=O)c(C)c1
InChIInChI=1S/C21H25NO3/c1-11-7-12(2)16(13(3)8-11)18-19(24)17-14(22(6)20(18)25)9-21(4,5)10-15(17)23/h7-8,24H,9-10H2,1-6H3
InChIKeyFNNIBDQTBWLLEO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.84
Rot. Bonds1

About 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione

4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione (PubChem CID 54708972) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
PubChem CID54708972
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
SMILESCc1cc(C)c(-c2c(O)c3c(n(C)c2=O)CC(C)(C)CC3=O)c(C)c1
InChIInChI=1S/C21H25NO3/c1-11-7-12(2)16(13(3)8-11)18-19(24)17-14(22(6)20(18)25)9-21(4,5)10-15(17)23/h7-8,24H,9-10H2,1-6H3
InChIKeyFNNIBDQTBWLLEO-UHFFFAOYSA-N
XLogP3.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione?
The IUPAC name of 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione (CID 54708972) is 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione is Cc1cc(C)c(-c2c(O)c3c(n(C)c2=O)CC(C)(C)CC3=O)c(C)c1.
What is the InChIKey of 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione?
The InChIKey is FNNIBDQTBWLLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-11-7-12(2)16(13(3)8-11)18-19(24)17-14(22(6)20(18)25)9-21(4,5)10-15(17)23/h7-8,24H,9-10H2,1-6H3.
What are the key properties of 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione?
4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione has a molecular weight of 339.44 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione is sourced from PubChem (CID 54708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).